| CAS Number | 414892-26-5 |
| Catalog Number | AG01A2DE(AGN-PC-0WOIC1) |
| Chemical Name | 1-(3,4-Dichlorobenzyl)piperidin-3-ol |
| IUPAC Name | 1-[(3,4-dichlorophenyl)methyl]piperidin-3-ol |
| InChI | InChI=1S/C12H15Cl2NO/c13-11-4-3-9(6-12(11)14)7-15-5-1-2-10(16)8-15/h3-4,6,10,16H,1-2,5,7-8H2 |
| InChI Key | CGWXRMJZQYQZNH-UHFFFAOYSA-N |
| MDL Number | MFCD01452152 |
| Molecular Formula | C12H15Cl2NO |
| Molecular Weight | 260.1596 |
| SMILES | OC1CN(CC2=CC(Cl)=C(Cl)C=C2)CCC1 |
| Synonyms | 1-[(3,4-dichlorophenyl)methyl]piperidin-3-ol,
414892-26-5,
1-(3,4-Dichloro-benzyl)-piperidin-3-ol,
1-(3,4-dichlorobenzyl)piperidin-3-ol,
AC1MDL0Z,
Oprea1_279131,
SCHEMBL15347018,
SBB074613,
AKOS008953620,
MCULE-8410383334,
NE37784,
SR-01000202572,
SR-01000202572-1,
Z54753369,
CID2838635,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.158g/mol |
| Monoisotopic Mass | 259.053g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 23.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number